N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide

C16H18FNO2S — CID 138798374

IUPACN-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18FNO2S/c1-13(2)12-18(15-10-8-14(17)9-11-15)21(19,20)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyFMDVGPVMMVTLEH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.68
Rot. Bonds5

About N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide

N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 138798374) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID138798374
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18FNO2S/c1-13(2)12-18(15-10-8-14(17)9-11-15)21(19,20)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyFMDVGPVMMVTLEH-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 22042568
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
CID 3109560
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
N-(2-methylpropyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(3-methylsulfonylphenyl)ethyl]phenyl]benzenesulfonamide
CID 71126465
N-(2-methylpropyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzenesulfonamide
CID 89297581
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
CID 126480845
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide (CID 138798374) is N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FMDVGPVMMVTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-13(2)12-18(15-10-8-14(17)9-11-15)21(19,20)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 138798374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).